Basic information
- CAS
1073608-02-2- Standard SMILES
[2H]C1([2H])C([2H])([2H])C([2H])([2H])C([2H])(n2nnnc2CCCCOc2ccc3c(c2)CCC(=O)N3)C([2H])([2H])C1([2H])[2H]- InChIKey
RRGUKTPIGVIEKM-SAGHCWGKSA-N- Molecular formula
- C20H27N5O2
- Average molar mass
- 380.5 g/mol
- Monoisotopic mass
- 380.28551933
Names & identifiers
- Preferred name
- Cilostazol-d11
- IUPAC
- 6-[4-[1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one
- English name
- Cilostazol-d11
- Molecular formula
- C20H16D11N5O2
- Molecular weight
- 380.528459558
Names & synonyms
Cilostazol-d111073608-02-26-[4-[1-(1,2,2,3,3,4,4,5,5,6,6-undecadeuteriocyclohexyl)tetrazol-5-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one89332-50-3SCHEMBL2811968DTXSID40661871HY-17464SCS-02020386-{4-[1-(~2~H_11_)Cyclohexyl-1H-tetrazol-5-yl]butoxy}-3,4-dihydroquinolin-2(1H)-oneOPC013015Pletal-d11Brn 3632107
Show more names
CilostazolumOPC-13013-d11CILOSTAZOL METABOLITECilostazol Impurity 166-(4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy)-3,4-dihydrocarbostyril6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydro-2(1H)-quinolinon
Database identifiers
- CAS
1073608-02-2- PubChem CID
- 45038681
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 485
Physicochemical properties
- Melting point
- 159 · 159-160°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Chloroform (Slightly), Methanol (Slightly, Sonicated)
- form
- Solid
- color
- White to Off-White
- CAS DataBase Reference
- 89332 · 89332-50-3
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Applications
UsesA potent phosphodiesterase III A (PDE3A) inhibitor (IC50=0.2uM) and inhibitor of adenosine uptake. Has antimitogeni, antithrombotic, vasodilatory and cardiotonic properties in vivo. Also affects lipid levels in vivo
Suppliers2 total
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
南京世洲生物科技有限公司17301488900 · [email protected]
Additional notes
DefinitionChEBI: Cilostazol is a lactam that is 3,4-dihydroquinolin-2(1H)-one in which the hydrogen at position 6 is substituted by a 4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy group. It has a role as a bronchodilator agent, a vasodilator agent, a fibrin modulating drug, a platelet aggregation inhibitor, a neuroprotective agent, an anticoagulant and an EC 3.1.4.17 (3',5'-cyclic-nucleotide phosphodiesterase) inhibitor. It is a member of tetrazoles and a lactam.
Related reactions
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Compound notes
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